1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide

C21H27N3O3 — CID 91835005

IUPAC1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-27-15-20(25)24-12-10-17(11-13-24)21(26)23(2)14-18-9-8-16-6-4-5-7-19(16)22-18/h4-9,17H,3,10-15H2,1-2H3
InChIKeyAMZUFPMLHOPJPJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.47
Rot. Bonds6

About 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide

1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 91835005) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID91835005
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-27-15-20(25)24-12-10-17(11-13-24)21(26)23(2)14-18-9-8-16-6-4-5-7-19(16)22-18/h4-9,17H,3,10-15H2,1-2H3
InChIKeyAMZUFPMLHOPJPJ-UHFFFAOYSA-N
XLogP2.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyacetyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 118764200
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 97208184
ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
CID 62028143
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
CID 74249390
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
CID 55718643
(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
CID 56854498
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide (CID 91835005) is 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide is CCOCC(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AMZUFPMLHOPJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-27-15-20(25)24-12-10-17(11-13-24)21(26)23(2)14-18-9-8-16-6-4-5-7-19(16)22-18/h4-9,17H,3,10-15H2,1-2H3.
What are the key properties of 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide?
1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-N-methyl-N-(quinolin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91835005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).